New isostructural ethylenediammonium diphosphates (NH3(CH 2)2NH3)2[Me(HP2O 7)2·2 H2O] [Me = Co, Ni]: X-ray crystal structure and vibrational spectroscopy

Francesco Capitelli; Brahim El Bali; Rachid Essehli; Mohammed Lachkar; Veronica Valentini; Giorgio Mattei; Jan Taraba; Zdirak Zak

doi:10.1524/zkri.2006.221.9.649

New isostructural ethylenediammonium diphosphates (NH₃(CH ₂)₂NH₃)₂[Me(HP₂O ₇)₂·2 H₂O] [Me = Co, Ni]: X-ray crystal structure and vibrational spectroscopy

Francesco Capitelli
, Brahim El Bali
, Rachid Essehli
, Mohammed Lachkar
, Veronica Valentini
, Giorgio Mattei
, Jan Taraba
, Zdirak Zak

Emerging and Solid-State Batteries

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

New ethylenediammonium diphosphates (NH₃(CH₂) ₂NH₃)₂[Me(HP₂O₇) ₂·2 H₂O] [Me = Co (1), Ni (2)] have been synthesized and investigated by single-crystal X-ray diffractometry. The two structures resulted to be isostructural within triclinic space group P1. The unit-cell parameters are: a = 7.5211(6) Å, b = 7.5574(3) Å, c = 9.7689(7) Å, α = 103.6(1)°, β = 111.14(1)°, γ = 98.04(1)°, V = 486.9(1) Å³ (1) and a = 7.4631(15) Å, b = 7.5274(12) Å, c = 9.743(3) Å, α = 104.28(2)°, β = 110.75(2)°, γ = 97.50(2)°, V = 481.4(2) Å³ (2). The three-dimensional network is built up by discrete Me(HP₂O ₇)₂·2 H₂O moieties, which, via strong O-H . . . O bonds, form layers parallel to ab plane. Ethylenediammonium groups are located between such layers, stabilizing the framework via N-H . . . O bonds. The hydrogendiphosphate group presents bent eclipsed conformation, while the Me ion lies on inversion centre. The structural data, as the bent POP configuration, have been confirmed by the Raman and infrared spectra of the title compounds. In particular, the non-coincidence between the infrared and Raman bands supports the centrosymmetric structure of the investigated crystals.

Original language	English
Pages (from-to)	649-655
Number of pages	7
Journal	Zeitschrift fur Kristallographie
Volume	221
Issue number	9
DOIs	https://doi.org/10.1524/zkri.2006.221.9.649
State	Published - 2006

Keywords

Diphosphate
Ethylenediammonium
Raman and infrared spectroscopy
Single crystal structure analysis
X-ray diffraction

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10.1524/zkri.2006.221.9.649

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@article{7dc0ebaf1e5546f1b6cd4af52714759c,

title = "New isostructural ethylenediammonium diphosphates (NH3(CH 2)2NH3)2[Me(HP2O 7)2·2 H2O] [Me = Co, Ni]: X-ray crystal structure and vibrational spectroscopy",

abstract = "New ethylenediammonium diphosphates (NH3(CH2) 2NH3)2[Me(HP2O7) 2·2 H2O] [Me = Co (1), Ni (2)] have been synthesized and investigated by single-crystal X-ray diffractometry. The two structures resulted to be isostructural within triclinic space group P1. The unit-cell parameters are: a = 7.5211(6) {\AA}, b = 7.5574(3) {\AA}, c = 9.7689(7) {\AA}, α = 103.6(1)°, β = 111.14(1)°, γ = 98.04(1)°, V = 486.9(1) {\AA}3 (1) and a = 7.4631(15) {\AA}, b = 7.5274(12) {\AA}, c = 9.743(3) {\AA}, α = 104.28(2)°, β = 110.75(2)°, γ = 97.50(2)°, V = 481.4(2) {\AA}3 (2). The three-dimensional network is built up by discrete Me(HP2O 7)2·2 H2O moieties, which, via strong O-H . . . O bonds, form layers parallel to ab plane. Ethylenediammonium groups are located between such layers, stabilizing the framework via N-H . . . O bonds. The hydrogendiphosphate group presents bent eclipsed conformation, while the Me ion lies on inversion centre. The structural data, as the bent POP configuration, have been confirmed by the Raman and infrared spectra of the title compounds. In particular, the non-coincidence between the infrared and Raman bands supports the centrosymmetric structure of the investigated crystals.",

keywords = "Diphosphate, Ethylenediammonium, Raman and infrared spectroscopy, Single crystal structure analysis, X-ray diffraction",

author = "Francesco Capitelli and \{El Bali\}, Brahim and Rachid Essehli and Mohammed Lachkar and Veronica Valentini and Giorgio Mattei and Jan Taraba and Zdirak Zak",

year = "2006",

doi = "10.1524/zkri.2006.221.9.649",

language = "English",

volume = "221",

pages = "649--655",

journal = "Zeitschrift fur Kristallographie",

issn = "0044-2968",

publisher = "De Gruyter",

number = "9",

}

TY - JOUR

T1 - New isostructural ethylenediammonium diphosphates (NH3(CH 2)2NH3)2[Me(HP2O 7)2·2 H2O] [Me = Co, Ni]

T2 - X-ray crystal structure and vibrational spectroscopy

AU - Capitelli, Francesco

AU - El Bali, Brahim

AU - Essehli, Rachid

AU - Lachkar, Mohammed

AU - Valentini, Veronica

AU - Mattei, Giorgio

AU - Taraba, Jan

AU - Zak, Zdirak

PY - 2006

Y1 - 2006

N2 - New ethylenediammonium diphosphates (NH3(CH2) 2NH3)2[Me(HP2O7) 2·2 H2O] [Me = Co (1), Ni (2)] have been synthesized and investigated by single-crystal X-ray diffractometry. The two structures resulted to be isostructural within triclinic space group P1. The unit-cell parameters are: a = 7.5211(6) Å, b = 7.5574(3) Å, c = 9.7689(7) Å, α = 103.6(1)°, β = 111.14(1)°, γ = 98.04(1)°, V = 486.9(1) Å3 (1) and a = 7.4631(15) Å, b = 7.5274(12) Å, c = 9.743(3) Å, α = 104.28(2)°, β = 110.75(2)°, γ = 97.50(2)°, V = 481.4(2) Å3 (2). The three-dimensional network is built up by discrete Me(HP2O 7)2·2 H2O moieties, which, via strong O-H . . . O bonds, form layers parallel to ab plane. Ethylenediammonium groups are located between such layers, stabilizing the framework via N-H . . . O bonds. The hydrogendiphosphate group presents bent eclipsed conformation, while the Me ion lies on inversion centre. The structural data, as the bent POP configuration, have been confirmed by the Raman and infrared spectra of the title compounds. In particular, the non-coincidence between the infrared and Raman bands supports the centrosymmetric structure of the investigated crystals.

AB - New ethylenediammonium diphosphates (NH3(CH2) 2NH3)2[Me(HP2O7) 2·2 H2O] [Me = Co (1), Ni (2)] have been synthesized and investigated by single-crystal X-ray diffractometry. The two structures resulted to be isostructural within triclinic space group P1. The unit-cell parameters are: a = 7.5211(6) Å, b = 7.5574(3) Å, c = 9.7689(7) Å, α = 103.6(1)°, β = 111.14(1)°, γ = 98.04(1)°, V = 486.9(1) Å3 (1) and a = 7.4631(15) Å, b = 7.5274(12) Å, c = 9.743(3) Å, α = 104.28(2)°, β = 110.75(2)°, γ = 97.50(2)°, V = 481.4(2) Å3 (2). The three-dimensional network is built up by discrete Me(HP2O 7)2·2 H2O moieties, which, via strong O-H . . . O bonds, form layers parallel to ab plane. Ethylenediammonium groups are located between such layers, stabilizing the framework via N-H . . . O bonds. The hydrogendiphosphate group presents bent eclipsed conformation, while the Me ion lies on inversion centre. The structural data, as the bent POP configuration, have been confirmed by the Raman and infrared spectra of the title compounds. In particular, the non-coincidence between the infrared and Raman bands supports the centrosymmetric structure of the investigated crystals.

KW - Diphosphate

KW - Ethylenediammonium

KW - Raman and infrared spectroscopy

KW - Single crystal structure analysis

KW - X-ray diffraction

UR - https://www.scopus.com/pages/publications/33748579214

U2 - 10.1524/zkri.2006.221.9.649

DO - 10.1524/zkri.2006.221.9.649

M3 - Article

AN - SCOPUS:33748579214

SN - 0044-2968

VL - 221

SP - 649

EP - 655

JO - Zeitschrift fur Kristallographie

JF - Zeitschrift fur Kristallographie

IS - 9

ER -

New isostructural ethylenediammonium diphosphates (NH₃(CH ₂)₂NH₃)₂[Me(HP₂O ₇)₂·2 H₂O] [Me = Co, Ni]: X-ray crystal structure and vibrational spectroscopy

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